N-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]methyl]propanamide

C17H15N3O2S — CID 59750137

IUPACN-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]methyl]propanamide
SMILESCCC(=O)NCc1cccc(-c2nc(=O)c3ccccc3s2)n1
InChIInChI=1S/C17H15N3O2S/c1-2-15(21)18-10-11-6-5-8-13(19-11)17-20-16(22)12-7-3-4-9-14(12)23-17/h3-9H,2,10H2,1H3,(H,18,21)
InChIKeyIRSXPRBTYKMPCY-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.74
Rot. Bonds4

About N-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]methyl]propanamide

N-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]methyl]propanamide (PubChem CID 59750137) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]methyl]propanamide
PubChem CID59750137
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC NameN-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]methyl]propanamide
SMILESCCC(=O)NCc1cccc(-c2nc(=O)c3ccccc3s2)n1
InChIInChI=1S/C17H15N3O2S/c1-2-15(21)18-10-11-6-5-8-13(19-11)17-20-16(22)12-7-3-4-9-14(12)23-17/h3-9H,2,10H2,1H3,(H,18,21)
InChIKeyIRSXPRBTYKMPCY-UHFFFAOYSA-N
XLogP2.74
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]methyl]propanamide?
The IUPAC name of N-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]methyl]propanamide (CID 59750137) is N-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]methyl]propanamide.
What is the SMILES notation for N-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]methyl]propanamide?
The canonical SMILES for N-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]methyl]propanamide is CCC(=O)NCc1cccc(-c2nc(=O)c3ccccc3s2)n1.
What is the InChIKey of N-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]methyl]propanamide?
The InChIKey is IRSXPRBTYKMPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-2-15(21)18-10-11-6-5-8-13(19-11)17-20-16(22)12-7-3-4-9-14(12)23-17/h3-9H,2,10H2,1H3,(H,18,21).
What are the key properties of N-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]methyl]propanamide?
N-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]methyl]propanamide has a molecular weight of 325.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]methyl]propanamide is sourced from PubChem (CID 59750137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).